|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3
|
|
chemicalCompound:standardIn... |
CMEWLCATCRTSGF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN(C)c1ccc(cc1)N=O
|
|
chemicalCompound:molecularF... |
C8H10N2O
|
|
chemicalCompound:moleculeId |
993377
|
|
chemicalCompound:mwFreebase |
150.178
|
|
chemicalCompound:alogp |
2.238
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
32.67
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.969
|
|
chemicalCompound:acdLogD |
1.969
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
150.178
|
|
chemicalCompound:chemblId |
CHEMBL1569493
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:3607824,
activity:3657961,
activity:3698387,
activity:3768665,
activity:3769464,
activity:3772677,
activity:3774732,
activity:3777884,
activity:3778844,
activity:3779318,
activity:3894545,
activity:3902767,
activity:3903950,
activity:3919645,
activity:3922264,
activity:3942297,
activity:3951282,
activity:3975926,
activity:4057144,
activity:4078746,
activity:4099034,
activity:4106320,
activity:4146222,
activity:4291399,
activity:4370527,
activity:4417041,
activity:4542570,
activity:4549781,
activity:4586690,
activity:4619849,
activity:4633600,
activity:4670712,
activity:4714025,
activity:4723425,
activity:4749317,
activity:4783609,
activity:4802396,
activity:4845977,
activity:4861320,
activity:4865018,
activity:4868836,
activity:4872800,
activity:4896353,
activity:4901547,
activity:4902025,
activity:4976438,
activity:4980589,
activity:5019546,
activity:5022686,
activity:5065251,
activity:5078220,
activity:6445276,
activity:6558745,
activity:6580948,
activity:6739305,
activity:6745537,
activity:6750591,
activity:6793678,
activity:6860930,
activity:7015015,
activity:7026098,
activity:7037952,
activity:7048711,
activity:7050675,
activity:7062827,
activity:7224336,
activity:7272766
|
